DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:30 UTC
Update Date	2025-03-25 00:45:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149970
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₃N₂O₆+
Molecular Mass	303.1551
SMILES	C[N+](C)(C)C(=O)C(CCC(=O)O)N1CC(O)CC1C(=O)O
InChI Key	RJDXLENDBZMAJQ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamic acid and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids n-alkylpyrrolidines organic cations organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid fatty acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound hydroxy fatty acid organic cation pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives alcohol azacycle n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine glutamic acid or derivatives amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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